CID 11029774

(3s)-3-hydroxypyrrolidin-2-one

Structural Information

Molecular Formula

SMILES

C1CNC(=O)[C@H]1O

InChI

InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1

InChIKey

FRKGSNOMLIYPSH-VKHMYHEASA-N

Compound name

(3S)-3-hydroxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1025
Patents: 101.047676 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	102.054952	117.9
[M+Na]+	124.036894	125.6
[M-H]-	100.040400	117.5
[M+NH4]+	119.081499	140.1
[M+K]+	140.010834	124.1
[M+H-H2O]+	84.044936	113.0
[M+HCOO]-	146.045877	138.2
[M+CH3COO]-	160.061527	158.6
[M+Na-2H]-	122.022342	122.7
[M]+	101.04712742	113.0
[M]-	101.04822458	113.0

Literature stripe

literature stripe

Patent stripe

patents stripe